Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM25771
Substrate
n/a
Meas. Tech.
ChEMBL_651475 (CHEMBL1227592)
Ki
3.2±n/a nM
Citation
 Beattie, D; Bradley, M; Brearley, A; Charlton, SJ; Cuenoud, BM; Fairhurst, RA; Gedeck, P; Gosling, M; Janus, D; Jones, D; Lewis, C; McCarthy, C; Oakman, H; Stringer, R; Taylor, RJ; Tuffnell, A A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators. Bioorg Med Chem Lett 20:5302-7 (2010) [PubMed]  Article 
Target
Name:
Beta-2 adrenergic receptor
Synonyms:
ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor
Type:
n/a
Mol. Mass.:
46461.69
Organism:
Homo sapiens (Human)
Description:
P07550
Residue:
413
Sequence:
MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
  
Inhibitor
Name:
BDBM25771
Synonyms:
1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol | 4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol | Aeromax | Salmeterol | Serevent | salmeterol xinafoate
Type:
Small organic molecule
Emp. Form.:
C25H37NO4
Mol. Mass.:
415.5656
SMILES:
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: